General Information of the Compound
| Compound ID |
CP0550047
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| Compound Name |
4-methoxy-N-[3-[(1S,3R,4S,7S,9R)-9-[3-[(4-methoxybenzoyl)amino]phenyl]-3,9-dimethyl-2,5,8-trioxa-10-azatricyclo[5.2.1.04,10]decan-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C36H35N3O7
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| Molecular Weight |
621.69
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1cccc(c1)[C@@]1(C)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1cccc(NC(=O)c2ccc(OC)cc2)c1
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| InChI |
InChI=1S/C36H35N3O7/c1-35(24-7-5-9-26(19-24)37-31(40)22-11-15-28(42-3)16-12-22)33-39-30(21-44-33)45-36(2,34(39)46-35)25-8-6-10-27(20-25)38-32(41)23-13-17-29(43-4)18-14-23/h5-20,30,33-34H,21H2,1-4H3,(H,37,40)(H,38,41)/t30-,33-,34-,35+,36+/m0/s1
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| InChIKey |
CEFZLJAZLPOVTE-SIJDRCJTSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1